3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide

C22H18N4O2 — CID 55732141

IUPAC3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H18N4O2/c27-22(18-5-4-8-21(13-18)28-20-6-2-1-3-7-20)24-14-17-9-11-19(12-10-17)26-16-23-15-25-26/h1-13,15-16H,14H2,(H,24,27)
InChIKeyYRVGOGHBVDHIIC-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.99
Rot. Bonds6

About 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide

3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide (PubChem CID 55732141) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
PubChem CID55732141
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H18N4O2/c27-22(18-5-4-8-21(13-18)28-20-6-2-1-3-7-20)24-14-17-9-11-19(12-10-17)26-16-23-15-25-26/h1-13,15-16H,14H2,(H,24,27)
InChIKeyYRVGOGHBVDHIIC-UHFFFAOYSA-N
XLogP3.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
3-phenoxy-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582876
3-ethoxy-4-(2-phenoxyethoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795864
3-phenoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55619118
3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 86992268
4-(1,2,4-triazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18286168
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525782
3-[(3-chlorophenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55734423
3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide
CID 69123933
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167764922
N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide
CID 162638492

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide (CID 55732141) is 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide is O=C(NCc1ccc(-n2cncn2)cc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is YRVGOGHBVDHIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-22(18-5-4-8-21(13-18)28-20-6-2-1-3-7-20)24-14-17-9-11-19(12-10-17)26-16-23-15-25-26/h1-13,15-16H,14H2,(H,24,27).
What are the key properties of 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 55732141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).